In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2009 | 18 | Yes |
Popular Name: 2-(1H-imidazol-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanone 2-(1H-imidazol-2-yl)-1-(5,6,7,8-…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.94 | 7.71 | -13.73 | 1 | 3 | 0 | 46 | 260.362 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.94 | 7.97 | -33.87 | 2 | 3 | 1 | 47 | 261.37 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.